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core::scoring::etable::AnalyticEtableEnergy Member List

This is the complete list of members for core::scoring::etable::AnalyticEtableEnergy, including all inherited members.

__pad0__core::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
__pad1__core::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
AnalyticEtableEnergy(Etable const &etable_in, methods::EnergyMethodOptions const &options, bool const do_classic_intrares=false)core::scoring::etable::AnalyticEtableEnergy
AnalyticEtableEnergy(AnalyticEtableEnergy const &)core::scoring::etable::AnalyticEtableEnergy
atom_pair_energy(conformation::Atom const &atom1, conformation::Atom const &atom2, Real const weight, EnergyMap &emap, Real &dsq) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
atom_pair_energy(conformation::Atom const &atom1, conformation::Atom const &atom2, Real const weight, Energy &atr, Energy &rep, Energy &solv, Energy &bb, Real &dsq) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
atom_pair_energy(conformation::Atom const &atom1, conformation::Atom const &atom2, Real const weight, AtomPairEnergy &ape) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
atomic_interaction_cutoff() const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
atoms_with_dof_derivatives(conformation::Residue const &res, pose::Pose const &p) const core::scoring::methods::TwoBodyEnergyvirtual
backbone_backbone_energy(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
backbone_sidechain_energy(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
BaseEtableEnergy(methods::EnergyMethodCreatorOP creator, Etable const &etable_in, methods::EnergyMethodOptions const &options, bool const do_classic_intrares_=false)core::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
BaseEtableEnergy(BaseEtableEnergy< AnalyticEtableEnergy > const &)core::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
bump_energy_backbone(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
bump_energy_full(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
calculate_interres(core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
calculate_intra_xover4(core::conformation::Residue const &rsd) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
calculate_intrares(core::conformation::Residue const &rsd) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
clone() const overridecore::scoring::etable::AnalyticEtableEnergyvirtual
ContextIndependentTwoBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::ContextIndependentTwoBodyEnergy
count_pair_full() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
count_pair_hybrid() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
create_rotamer_trie(conformation::RotamerSetBase const &rotset, pose::Pose const &pose) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
create_rotamer_trie(conformation::Residue const &residue, pose::Pose const &) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
create_rotamer_trie_1(conformation::RotamerSetBase const &rotset, Size connection_type) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
create_rotamer_trie_2(conformation::RotamerSetBase const &rotset) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
defines_high_order_terms(pose::Pose const &) const core::scoring::methods::EnergyMethodvirtual
defines_intrares_dof_derivatives(pose::Pose const &p) const core::scoring::methods::TwoBodyEnergyvirtual
defines_intrares_energy(EnergyMap const &) const overridecore::scoring::etable::AnalyticEtableEnergyvirtual
defines_intrares_energy_for_residue(conformation::Residue const &res) const core::scoring::methods::TwoBodyEnergyvirtual
defines_score_for_residue_pair(conformation::Residue const &res1, conformation::Residue const &res2, bool res_moving_wrt_eachother) const core::scoring::methods::TwoBodyEnergyvirtual
derived_prepare_for_residue_pair(Size const, Size const, pose::Pose const &) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
determine_crossover_behavior(conformation::Residue const &res1, conformation::Residue const &res2, pose::Pose const &, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
divides_backbone_and_sidechain_energetics() const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlinevirtual
do_classic_intrares() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
EnergyMethod(EnergyMethodCreatorOP creator)core::scoring::methods::EnergyMethod
etable() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
eval_atom_derivative(id::AtomID const &id, pose::Pose const &pose, kinematics::DomainMap const &, ScoreFunction const &sfxn, EnergyMap const &weights, Vector &F1, Vector &F2) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
eval_dE_dR_over_r_(conformation::Atom const &atom1, conformation::Atom const &atom2, EnergyMap const &weights, Vector &f1, Vector &f2) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
eval_intrares_derivatives(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, EnergyMap const &weights, utility::vector1< DerivVectorPair > &atom_derivs) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
eval_intrares_energy(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::AnalyticEtableEnergyvirtual
eval_intrares_energy_ext(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
eval_intraresidue_dof_derivative(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, id::DOF_ID const &dof_id, id::TorsionID const &torsion_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const core::scoring::methods::TwoBodyEnergyvirtual
eval_residue_pair_derivatives(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &, ResSingleMinimizationData const &, ResPairMinimizationData const &min_data, pose::Pose const &pose, EnergyMap const &weights, utility::vector1< DerivVectorPair > &r1_at_derivs, utility::vector1< DerivVectorPair > &r2_at_derivs) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
evaluate_rotamer_background_energies(conformation::RotamerSetBase const &set, conformation::Residue const &residue, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, utility::vector1< core::PackerEnergy > &energy_vector) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
evaluate_rotamer_background_energy_maps(conformation::RotamerSetBase const &set, conformation::Residue const &residue, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, utility::vector1< EnergyMap > &emaps) const overridecore::scoring::methods::ShortRangeTwoBodyEnergyvirtual
evaluate_rotamer_intrares_energies(conformation::RotamerSetBase const &set, pose::Pose const &pose, ScoreFunction const &sfxn, utility::vector1< core::PackerEnergy > &energies) const core::scoring::methods::TwoBodyEnergyvirtual
evaluate_rotamer_intrares_energy_maps(conformation::RotamerSetBase const &set, pose::Pose const &pose, ScoreFunction const &sfxn, utility::vector1< EnergyMap > &emaps) const core::scoring::methods::TwoBodyEnergyvirtual
evaluate_rotamer_pair_energies(conformation::RotamerSetBase const &set1, conformation::RotamerSetBase const &set2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, ObjexxFCL::FArray2D< core::PackerEnergy > &energy_table) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
Evaluator typedefcore::scoring::etable::AnalyticEtableEnergy
finalize_after_derivatives(pose::Pose &, ScoreFunction const &) const core::scoring::methods::EnergyMethodvirtual
finalize_after_minimizing(pose::Pose &pose) const core::scoring::methods::EnergyMethodvirtual
finalize_total_energy(pose::Pose &pose, ScoreFunction const &, EnergyMap &totals) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
get_count_pair_function(Size res1, Size res2, pose::Pose const &pose, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
get_count_pair_function(conformation::Residue const &res1, conformation::Residue const &res2, pose::Pose const &pose, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
get_count_pair_function_trie(conformation::RotamerSetBase const &set1, conformation::RotamerSetBase const &set2, pose::Pose const &pose, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
get_count_pair_function_trie(conformation::Residue const &res1, conformation::Residue const &res2, trie::RotamerTrieBaseCOP trie1, trie::RotamerTrieBaseCOP trie2, pose::Pose const &pose, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
get_intrares_countpair(conformation::Residue const &res, pose::Pose const &pose, ScoreFunction const &sfxn) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >
hydrogen_interaction_cutoff2() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
indicate_required_context_graphs(utility::vector1< bool > &) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
interpolate_bins(conformation::Atom const &atom1, conformation::Atom const &atom2, Real &d2, int &disbin, Real &frac) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
interres_evaluator() const core::scoring::etable::AnalyticEtableEnergyinline
interres_evaluator()core::scoring::etable::AnalyticEtableEnergyinline
interres_evaluator_core::scoring::etable::AnalyticEtableEnergymutableprivate
intrares_evaluator() const core::scoring::etable::AnalyticEtableEnergyinline
intrares_evaluator()core::scoring::etable::AnalyticEtableEnergyinline
intrares_evaluator_core::scoring::etable::AnalyticEtableEnergymutableprivate
method_type() const overridecore::scoring::methods::ContextIndependentTwoBodyEnergyvirtual
min_pair_data_type() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
min_single_data_type() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
minimize_in_whole_structure_context(pose::Pose const &) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
nblist_type() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
nonprot_intrares_evaluator() const core::scoring::etable::AnalyticEtableEnergyinline
nonprot_intrares_evaluator()core::scoring::etable::AnalyticEtableEnergyinline
nonprot_intrares_evaluator_core::scoring::etable::AnalyticEtableEnergymutableprivate
pair_energy_H(conformation::Atom const &atom1, conformation::Atom const &atom2, Real weight, EnergyMap &emap) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
parent typedefcore::scoring::etable::AnalyticEtableEnergy
prepare_for_residue_pair(Size const res1, Size const res2, pose::Pose const &pose) constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inline
prepare_rotamers_for_packing(pose::Pose const &pose, conformation::RotamerSetBase &set) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
provide_citation_info(basic::citation_manager::CitationCollectionList &) const core::scoring::methods::EnergyMethodvirtual
put_intra_into_total() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >inlineprotected
rep_scoretype() constcore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >protected
requires_a_setup_for_derivatives_for_residue_opportunity(pose::Pose const &pose) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
requires_a_setup_for_derivatives_for_residue_pair_opportunity(pose::Pose const &pose) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
requires_a_setup_for_scoring_for_residue_opportunity_during_minimization(pose::Pose const &pose) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
requires_a_setup_for_scoring_for_residue_opportunity_during_regular_scoring(pose::Pose const &pose) const core::scoring::methods::EnergyMethodvirtual
requires_a_setup_for_scoring_for_residue_pair_opportunity(pose::Pose const &pose) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
residue_pair_energy(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
residue_pair_energy_ext(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResPairMinimizationData const &min_data, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
score_types() const core::scoring::methods::EnergyMethodinline
set_score_types(EnergyMethodCreatorOP creator)core::scoring::methods::EnergyMethodprotected
setup_for_derivatives(pose::Pose &pose, ScoreFunction const &scfxn) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_derivatives_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &, ResSingleMinimizationData &min_data, basic::datacache::BasicDataCache &) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_derivatives_for_residue_pair(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &minsingle_data1, ResSingleMinimizationData const &minsingle_data2, pose::Pose const &pose, ScoreFunction const &, ResPairMinimizationData &data_cache) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_minimizing(pose::Pose &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &min_map) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_minimizing_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &minmap, basic::datacache::BasicDataCache &, ResSingleMinimizationData &min_data) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_minimizing_for_residue_pair(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &minmap, ResSingleMinimizationData const &res1_data_cache, ResSingleMinimizationData const &res2_data_cache, ResPairMinimizationData &min_data) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_packing(pose::Pose &, utility::vector1< bool > const &, utility::vector1< bool > const &) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_packing_with_rotsets(pose::Pose &pose, pack_basic::RotamerSetsBaseOP const &rotsets, ScoreFunction const &sfxn) const core::scoring::methods::EnergyMethodvirtual
setup_for_scoring(pose::Pose &pose, ScoreFunction const &scfxn) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
setup_for_scoring_(pose::Pose const &pose, scoring::ScoreFunction const &) const core::scoring::etable::AnalyticEtableEnergy
setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &, ResSingleMinimizationData &min_data) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
core::scoring::methods::EnergyMethod::setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, basic::datacache::BasicDataCache &residue_data_cache) const core::scoring::methods::EnergyMethodvirtual
setup_for_scoring_for_residue_pair(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &minsingle_data1, ResSingleMinimizationData const &minsingle_data2, pose::Pose const &pose, ScoreFunction const &, ResPairMinimizationData &data_cache) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
ShortRangeTwoBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::ShortRangeTwoBodyEnergy
show_additional_info(std::ostream &, pose::Pose &, bool) const core::scoring::methods::EnergyMethodvirtual
sidechain_sidechain_energy(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
TwoBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::TwoBodyEnergy
update_residue_for_packing(pose::Pose &pose, Size resid) const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
use_extended_intrares_energy_interface() const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
use_extended_residue_pair_energy_interface() const overridecore::scoring::etable::BaseEtableEnergy< AnalyticEtableEnergy >virtual
version() const overridecore::scoring::etable::AnalyticEtableEnergyprivatevirtual
~ContextIndependentTwoBodyEnergy() overridecore::scoring::methods::ContextIndependentTwoBodyEnergy
~ShortRangeTwoBodyEnergy() overridecore::scoring::methods::ShortRangeTwoBodyEnergy
~TwoBodyEnergy() overridecore::scoring::methods::TwoBodyEnergy
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